SpectraBase Spectrum ID |
KhevU0aCgNm |
Name |
7-Methyl-3-phenyl-benzo[1,4]oxazin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.078978596 u |
Formula |
C15H11NO2 |
InChI |
InChI=1S/C15H11NO2/c1-10-7-8-12-13(9-10)18-15(17)14(16-12)11-5-3-2-4-6-11/h2-9H,1H3 |
InChIKey |
SZMQKEFRRLWKQC-UHFFFAOYSA-N |
Molecular Weight |
237.258 g/mol |
SMILES |
CC1=CC=2OC(=O)C(C3=CC=CC=C3)=NC2C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952244 |